LMFA01140071
  LIPID_MAPS_STRUCTURE_DATABASE

 29 29  0     0  0            999 V2000
   19.7694   -3.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9526   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0857   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2188   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3519   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4851   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6182   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6363   -3.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5032   -3.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3701   -3.8109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.5032   -2.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7512   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8844   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0175   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1507   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2837   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4168   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5500   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8162   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9493   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0824   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3486   -4.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818   -3.3354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149   -3.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6149   -4.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4818   -5.3374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  1  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
  9 11  2  0     0  0
  7 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 17 18  1  0     0  0
 16 17  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 21 22  1  0     0  0
 20 21  1  0     0  0
 23 24  1  0     0  0
 22 23  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 25  2  0     0  0
M  END
> <LM_ID>
LMFA01140071

> <COMMON_NAME>
21-phenyl heneicosanoic acid

> <SYSTEMATIC_NAME>
21-phenyl-heneicosanoic acid

> <FORMULA>
C27H46O2

> <MASS>
402.35

> <CATEGORY>
Fatty Acyls [FA]

> <MAIN_CLASS>
Fatty Acids and Conjugates [FA01]

> <SUB_CLASS>
Carbocyclic fatty acids [FA0114]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NTNZDKQMAVVRKI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H46O2/c28-27(29)25-21-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-22-26-23-19-17-20-24-26/h17,19-20,23-24H,1-16,18,21-22,25H2,(H,28,29)

> <SMILES>
C(CC(=O)O)CCCCCCCCCCCCCCCCCCC1=CC=CC=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
186930

> <ABBREVIATION>
FA 27:4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
134812124

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
Fatty Acyls [FA]

> <ALT_MAIN_CLASSES>
Fatty Acids and Conjugates [FA01]

> <ALT_SUB_CLASSES>
Unsaturated fatty acids [FA0103]

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
578871

> <CITATION>
15587707

$$$$